SCHEMBL4743572

SCHEMBL4743572

COc1cc2ncc3c(N)nc(-c4cncc(Nc5cccc(C(N)=O)c5)c4)cc3c2cc1OC

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 19/20 0.77
EGFR P00533 1/20 0.54
ERBB2 P04626 1/20 0.54
RPS6KB1 P23443 2/20 0.53
AKT1 P31749 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4745579 0.91 PDPK1 (0.78) PDPK1RPS6KB1AKT1
SCHEMBL4744842 0.87 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4744906 0.86 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4897866 0.85 PDPK1 (1.00) PDPK1RPS6KB1AKT1
SCHEMBL4744125 0.85 PDPK1 (0.85) PDPK1RPS6KB1AKT1
SCHEMBL4743567 0.85 PDPK1 (0.79) PDPK1RPS6KB1AKT1
SCHEMBL4888631 0.84 PDPK1 (0.85) PDPK1RPS6KB1AKT1
SCHEMBL4744229 0.84 PDPK1 (0.81) PDPK1RPS6KB1AKT1
SCHEMBL4743587 0.84 PDPK1 (0.78) PDPK1EGFRERBB2RPS6KB1AKT1
SCHEMBL4744360 0.83 PDPK1 (0.85) PDPK1RPS6KB1AKT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 US disclosed
WO-2008109613-A1 BENZO[C][2,7]NAPHTHYRIDINE DERIVATIVES, AND THEIR USE AS KINASE INHIBITORS WYETH (US) 2008-09-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 PDPK1 1/4885EGFR 3929/4885ERBB2 1069/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.